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An approximation for the exchange-correlation energy ofreduced-density-matrix-functional theory was recently derived from a study ofthe homogeneous electron gas (N.N. Lathiotakis, N. Helbig, E.K.U. Gross, Phys.Rev. B 75, 195120 (2007)). In the present work, we show how this approximationcan be extended appropriately to finite systems, where the Wigner Seitz radiusr_s, the parameter characterizing the constant density of the electron gas,needs to be replaced. We apply the functional to a variety of molecules attheir equilibrium geometry, and also discuss its performance at thedissociation limit. We demonstrate that, although originally derived from theuniform gas, the approximation performs remarkably well for finite systems.

A functional of the one-body-reduced density matrix derived from the homogeneous electron gas: Performance for finite systems